input word = C00009731

Metabolite InformationStructural formula
Name Neorauflavane
Formula C21H22O5
Mw 354.14672381
CAS RN 53734-74-0
C_ID C00009731 ,
InChIKey FLKVRTIAGSMQLN-UHFFFAOYNA-N
InChICode InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m1/s1
SMILES COc1c2c(cc3c1CC(c1ccc(O)cc1O)CO3)OC(C)(C)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia edulis Ref.
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